{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8829784 1.0348125 -0.3725011 ] [ 0.3785245 -0.3086453 -0.3630071 ] [ -1.7068324 0.9379284 0.7064802 ] [ -1.0079927 -1.3562175 -2.5411814 ] [ 1.9840511 -0.6302168 2.5631832 ] [ -0.6765902 0.4009651 0.6724714 ] [ 0.1458613 -0.0786264 -0.6654452 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.414687349151391e-09 1.6579523944116e-09 -5.968125536422828e-10 ] [ 6.064631043000095e-10 -4.945042837798023e-10 -5.816014888044077e-10 ] [ -2.734646966903954e-09 1.502726954464351e-09 1.131906059498108e-09 ] [ -1.614982337877068e-09 -2.172899971219824e-09 -4.071421428291814e-09 ] [ 3.178800286892523e-09 -1.009718622995389e-09 4.10667219786733e-09 ] [ -1.084017000302396e-09 6.424169089767342e-10 1.077417955236645e-09 ] [ 2.336955647394951e-10 -1.259733798576691e-10 -1.06616074186358e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.739923158928928 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.079854731122441e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.551715 1.6559617 2.9775785 ] [ 1.9808421 3.4580135 1.3401255 ] [ 2.1550804 3.8538987 3.7296834 ] [ 3.3153142 1.3766974 1.3338444 ] [ 3.9019896 1.9187979 3.6629034 ] [ 4.3893668 3.5000989 1.6472765 ] [ 4.5219299 4.1819738 3.9435404 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.551715e-10 1.6559617e-10 2.9775785e-10 ] [ 1.9808421e-10 3.4580135e-10 1.3401255e-10 ] [ 2.1550804e-10 3.8538987e-10 3.7296834e-10 ] [ 3.3153142e-10 1.3766974e-10 1.3338444e-10 ] [ 3.9019896e-10 1.9187979e-10 3.6629034e-10 ] [ 4.3893668e-10 3.5000989e-10 1.6472765e-10 ] [ 4.5219299e-10 4.1819738e-10 3.9435404e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.81e-05 1.27e-05 -1.01e-05 ] [ 3.7e-06 -2.22e-05 -8.4e-06 ] [ -8.6e-06 2.41e-05 3.55e-05 ] [ 2.79e-05 1.15e-05 -8.3e-06 ] [ 1.25e-05 -5.3e-06 -8.7e-06 ] [ -2.09e-05 -1.87e-05 1.19e-05 ] [ 3.5e-06 -2.1e-06 -1.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.899939683648e-14 2.034764308416e-14 -1.618198387008e-14 ] [ 5.928053496960001e-15 -3.556832098176e-14 -1.345828361472e-14 ] [ -1.377871893888e-14 3.861245656128e-14 5.68772700384e-14 ] [ 4.470072772032e-14 1.84250311392e-14 -1.329806595264e-14 ] [ 2.002720776e-14 -8.491536090240001e-15 -1.393893660096e-14 ] [ -3.348549137472e-14 -2.996070280896e-14 1.906590178752e-14 ] [ 5.6076181728e-15 -3.36457090368e-15 -1.906590178752e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.103202158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298276105265201e-18 } }